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收藏A flexible data-free framework for structure-based de novo drug design with reinforcement learning
Du, Hongyan; Jiang, Dejun; Zhang, Odin; Wu, Zhenxing; Gao, Junbo; Zhang, Xujun; Wang, Xiaorui; Deng, Yafeng; Kang, Yu; Li, Dan; Pan, Peichen; Hsieh, Chang-Yu; Hou, Tingjun
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收藏Proteome-Wide Profiling of the Covalent-Druggable Cysteines with a Structure-Based Deep Graph Learning Network
Du, Hongyan; Jiang, Dejun; Gao, Junbo; Zhang, Xujun; Jiang, Lingxiao; Zeng, Yundian; Wu, Zhenxing; Shen, Chao; Xu, Lei; Cao, Dongsheng; Hou, Tingjun; Pan, Peichen
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收藏Spiroarborin, an ent-Clerodane Homodimer from Callicarpa arborea as an Inhibitor of the Eleven-Nineteen Leukemia (ENL) Protein by the YEATS Domain
Pu, De-Bing; Guo, Si-Qi; Ni, Dong-Xuan; Lin, Jing; Gao, Jun-Bo; Li, Xiao-Ning; Zhang, Rui-Han; Li, Xiao-Li; Luo, Cheng; Chen, Shi-Jie; Xiao, Wei-Lie
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收藏The impact of cross-docked poses on performance of machine learning classifier for protein-ligand binding pose prediction交叉对接姿势对蛋白质-配体结合姿势预测机器学习分类器性能的影响
Shen, Chao; Hu, Xueping; Gao, Junbo; Zhang, Xujun; Zhong, Haiyang; Wang, Zhe; Xu, Lei; Kang, Yu; Cao, Dongsheng; Hou, Tingjun
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收藏Novel clerodane-type diterpenoid Cintelactone A suppresses lipopolysaccharide -induced inflammation by promoting ubiquitination, proteasomal degradation of TRAF6
Di, Qianqian; Zhao, Xibao; Zhang, Ruihan; Ma, Xingyu; Liang, Xinxin; Li, Xiaoli; Gao, Junbo; Tang, Haimei; Chen, Weilin; Xiao, Weilie
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收藏CovalentInDB: a comprehensive database facilitating the discovery of covalent inhibitorsCovalentInDB: 促进共价抑制剂发现的综合数据库
Du, Hongyan; Gao, Junbo; Weng, Gaoqi; Ding, Junjie; Chai, Xin; Pang, Jinping; Kang, Yu; Li, Dan; Cao, Dongsheng; Hou, Tingjun
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收藏PROTAC-DB: an online database of PROTACs
Weng, Gaoqi; Shen, Chao; Cao, Dongsheng; Gao, Junbo; Dong, Xiaowu; He, Qiaojun; Yang, Bo; Li, Dan; Wu, Jian; Hou, Tingjun
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收藏Callicarpins, Two Classes of Rearranged ent-Clerodane Diterpenoids from Callicarpa Plants Blocking NLRP3 Inflammasome-Induced Pyroptosis
Pu, De-Bing; Zhang, Xing-Jie; Bi, De-Wen; Gao, Jun-Bo; Yang, Yan; Li, Xiao-Li; Lin, Jing; Li, Xiao-Nian; Zhang, Rui-Han; Xiao, Wei-Lie
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收藏Luteolin-7-methylether from Leonurus japonicus inhibits estrogen biosynthesis in human ovarian granulosa cells by suppression of aromatase (CYP19)
Du, Bao-Wen; Zhang, Xing-Jie; Shi, Nan; Peng, Ting; Gao, Jun-Bo; Azimova, Bahtigul; Zhang, Ruihan; Pu, De-Bing; Wang, Chun; Abduvaliev, Anvar; Rakhmanov, Alisher; Zhang, Guo-Lin; Xiao, Wei-Lie; Wang, Fei
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